| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 30 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.98 | 7.18 | -11.93 | 3 | 6 | 0 | 89 | 405.498 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.75 | 7.41 | -53.52 | 1 | 6 | -1 | 88 | 404.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.75 | 7.7 | -51.87 | 1 | 6 | -1 | 88 | 404.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.98 | 8.06 | -35.77 | 2 | 6 | -1 | 92 | 404.49 | 6 | ↓ |
